>compound Itaconic acid_Itaconic acid
#instrument UPLC Q-Tof Premier, Waters
>formula C5H6O4
#smiles OC(=O)CC(=C)C(O)=O
#RECORD LC-ESI-QTOF_train_data/PR100773.txt
>charge -1
>ionization [M-H]-
>parentmass 129.01881

>collision 5-60
85.0296 77.88
129.0188 13.84

